Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14625499 | 0.85 | KMT2A (0.58) | KMT2ATSHRMEN1CHRM2CHRM1 | |
| SCHEMBL28772271 | 0.81 | KMT2A (0.56) | KMT2ATSHRMEN1CHRM2CHRM1 | |
| SCHEMBL7415448 | 0.81 | KMT2A (0.43) | KMT2ATSHRMEN1CYP3A4CYP2C19 | |
| SCHEMBL13380255 | 0.80 | KMT2A (0.55) | KMT2ATSHRMEN1PTGS1PTGS2 | |
| SCHEMBL206552 | 0.79 | KMT2A (0.49) | KMT2ATSHRMEN1ALDH1A1LMNA | |
| SCHEMBL31477299 | 0.79 | KMT2A (0.53) | KMT2ATSHRMEN1PTGS1PTGS2 | |
| SCHEMBL7626977 | 0.79 | KMT2A (0.53) | KMT2ATSHRMEN1CHRM2CHRM1 | |
| SCHEMBL11991382 | 0.78 | KMT2A (0.61) | KMT2ATSHRMEN1PTGS1PTGS2 | |
| SCHEMBL8505416 | 0.78 | KMT2A (0.61) | KMT2ATSHRMEN1PTGS1PTGS2 | |
| SCHEMBL16870950 | 0.77 | KMT2A (0.51) | KMT2AMEN1PTGS1PTGS2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107406371-A | The manufacture method of 3 phenylisoserine derivatives | 东丽精细化工株式会社 | 2017-11-28 | — | — | CN | disclosed |